N-(5-bromo-1-butyl-2-oxo-3H-indol-3-yl)acetamide

C14H17BrN2O2 — CID 665257

IUPACN-(5-bromo-1-butyl-2-oxo-3H-indol-3-yl)acetamide
SMILESCCCCN1C(=O)C(NC(C)=O)c2cc(Br)ccc21
InChIInChI=1S/C14H17BrN2O2/c1-3-4-7-17-12-6-5-10(15)8-11(12)13(14(17)19)16-9(2)18/h5-6,8,13H,3-4,7H2,1-2H3,(H,16,18)
InChIKeyCXCGQPLUFMSASL-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.77
Rot. Bonds4

About N-(5-bromo-1-butyl-2-oxo-3H-indol-3-yl)acetamide

N-(5-bromo-1-butyl-2-oxo-3H-indol-3-yl)acetamide (PubChem CID 665257) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is N-(5-bromo-1-butyl-2-oxo-3H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-1-butyl-2-oxo-3H-indol-3-yl)acetamide
PubChem CID665257
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC NameN-(5-bromo-1-butyl-2-oxo-3H-indol-3-yl)acetamide
SMILESCCCCN1C(=O)C(NC(C)=O)c2cc(Br)ccc21
InChIInChI=1S/C14H17BrN2O2/c1-3-4-7-17-12-6-5-10(15)8-11(12)13(14(17)19)16-9(2)18/h5-6,8,13H,3-4,7H2,1-2H3,(H,16,18)
InChIKeyCXCGQPLUFMSASL-UHFFFAOYSA-N
XLogP2.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Bromo-1-(2-methyl-2-propen-1-yl)-1H-indole-2,3-dione
CID 1755771
5-bromo-1-propyl-1H-indole-2,3-dione
CID 1722911
5'-Bromo-2-butyl-spiro[cyclopropane-1,3'-indoline]-2'-one
CID 15956438
5-Bromo-2-oxindole
CID 611193
N-(1-benzyl-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide
CID 2969896
N-(1-butyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide
CID 2954226
N-(2-oxo-1-propyl-2,3-dihydro-1H-indol-3-yl)acetamide
CID 4236752
7-bromo-5-phenyl-4-propionyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
CID 2857771
1H-Indole-2,3-dione, 5-bromo-1-(2-oxopropyl)-
CID 4541591
Butabindide
CID 9817923
6-bromo-3-methylspiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione
CID 9996408
(2S)-aminobutyryl-(2S)-indoline carboxylic acid ethylamide
CID 11572637

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1-butyl-2-oxo-3H-indol-3-yl)acetamide?
The IUPAC name of N-(5-bromo-1-butyl-2-oxo-3H-indol-3-yl)acetamide (CID 665257) is N-(5-bromo-1-butyl-2-oxo-3H-indol-3-yl)acetamide.
What is the SMILES notation for N-(5-bromo-1-butyl-2-oxo-3H-indol-3-yl)acetamide?
The canonical SMILES for N-(5-bromo-1-butyl-2-oxo-3H-indol-3-yl)acetamide is CCCCN1C(=O)C(NC(C)=O)c2cc(Br)ccc21.
What is the InChIKey of N-(5-bromo-1-butyl-2-oxo-3H-indol-3-yl)acetamide?
The InChIKey is CXCGQPLUFMSASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-3-4-7-17-12-6-5-10(15)8-11(12)13(14(17)19)16-9(2)18/h5-6,8,13H,3-4,7H2,1-2H3,(H,16,18).
What are the key properties of N-(5-bromo-1-butyl-2-oxo-3H-indol-3-yl)acetamide?
N-(5-bromo-1-butyl-2-oxo-3H-indol-3-yl)acetamide has a molecular weight of 325.21 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1-butyl-2-oxo-3H-indol-3-yl)acetamide is sourced from PubChem (CID 665257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).